SpectraBase Spectrum ID |
695mIfHrT1Z |
Name |
Acetamide, N-[2-[(difluoromethyl)sulfonyl]phenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.027120651 u |
Formula |
C9H9F2NO3S |
InChI |
InChI=1S/C9H9F2NO3S/c1-6(13)12-7-4-2-3-5-8(7)16(14,15)9(10)11/h2-5,9H,1H3,(H,12,13) |
InChIKey |
ORNPKXZGZSBLMB-UHFFFAOYSA-N |
Molecular Weight |
249.232 g/mol |
SMILES |
CC(=O)NC1=CC=CC=C1S(=O)(=O)C(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912284 |